SCHEMBL9702162

SCHEMBL9702162

C=C=C(CN)Cc1ccccc1OC

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.54
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
IDO1 P14902 2/20 0.46
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 2/20 0.43
TSHR P16473 2/20 0.43
CHRM2 P08172 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
AOC3 Q16853 1/20 0.41
MEN1 O00255 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9702788 0.86 TAAR1 (0.42) TAAR1ALDH1A1GAAKMT2ATSHR
SCHEMBL9702070 0.82 TAAR1 (0.40) TAAR1LMNASMN1; SMN2IDO1MAPT
SCHEMBL9702802 0.80 ADRA1A (0.50) TAAR1ALDH1A1GAAKMT2AMEN1
SCHEMBL9701904 0.80 ADRA1A (0.58) TAAR1IDO1KMT2AAOC3MEN1
SCHEMBL9701903 0.76 TAAR1 (0.52) TAAR1IDO1TSHR
SCHEMBL8712496 0.73 LMNA (0.58) TAAR1LMNASMN1; SMN2IDO1MAPT
SCHEMBL9701676 0.73 KDM4E (0.56) TAAR1LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL9702039 0.73 SMN1; SMN2 (0.47) TAAR1LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL11109543 0.72 SMN1; SMN2 (0.53) TAAR1LMNASMN1; SMN2IDO1MAPT
SCHEMBL5719348 0.72 LMNA (0.56) TAAR1LMNASMN1; SMN2IDO1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5120764-A Administering penicillamine and allenylamines to inhibit crosslinking of collagen MERRELL DOW PHARMACEUTICALS INC. (US) 1992-06-09 US disclosed
EP-0374440-A2 Inhibitors of lysyl oxidase MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-27 EP disclosed